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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 15-Mar-2023 | delta9_THC_141 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85439430; Eh | |||
![]() | 15-Mar-2023 | delta9_THC_132 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85460629; Eh | |||
![]() | 15-Mar-2023 | exo_THC_245 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.84960336; Eh | |||
![]() | 15-Mar-2023 | exo_THC_88 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85029916; Eh | |||
![]() | 15-Mar-2023 | exo_THC_72 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85139564; Eh | |||
![]() | 15-Mar-2023 | exo_THC_244 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.84972350; Eh | |||
![]() | 15-Mar-2023 | exo_THC_5 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85359782; Eh | |||
![]() | 15-Mar-2023 | CBC_824 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83081524; Eh | |||
![]() | 15-Mar-2023 | CBG_2029 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03745174; Eh | |||
![]() | 15-Mar-2023 | CBG_191 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.04072985; Eh |
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- 220 cannabinoid
- 220 THC
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- 220 Orca